Geometry & MOs

Info

ID:	24345
PubChem CID:	609470
Reduced:	O5C14H18 (1)
Stoich.:	A5B14C18 (1)
Weight, g/mol:	266.115424
ΔH_f, kcal/mol:	-202.01
Dipole, Da:	4.84
IP(EA), eV:	-9.4(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-hydroxy-6-oxocyclohexen-1-yl)-2-(methoxymethyl)cyclohexane-1,3-dione

Drug info:

PubChemData

Smile

COCC1(C(=O)CCCC1=O)C2=C(CCCC2=O)O

DOS

IR

Vibrations